2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N,N-dipropylacetamide

C15H22N4O2 — CID 110429772

IUPAC2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cn1cnc2[nH]c(C)cc2c1=O
InChIInChI=1S/C15H22N4O2/c1-4-6-18(7-5-2)13(20)9-19-10-16-14-12(15(19)21)8-11(3)17-14/h8,10,17H,4-7,9H2,1-3H3
InChIKeyRGCOTSHFOQVKGC-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.68
Rot. Bonds6

About 2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N,N-dipropylacetamide

2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N,N-dipropylacetamide (PubChem CID 110429772) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N,N-dipropylacetamide
PubChem CID110429772
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cn1cnc2[nH]c(C)cc2c1=O
InChIInChI=1S/C15H22N4O2/c1-4-6-18(7-5-2)13(20)9-19-10-16-14-12(15(19)21)8-11(3)17-14/h8,10,17H,4-7,9H2,1-3H3
InChIKeyRGCOTSHFOQVKGC-UHFFFAOYSA-N
XLogP1.68
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-3-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 110429610
6-methyl-3-pentyl-7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 110429627
N-(4-chloro-2-methylphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
CID 110429967
2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N,N-dipropylacetamide
CID 46350083
N-(3-hydroxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
CID 110429799
2-[[2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoic acid
CID 110429943
N-(5-chloro-2-methoxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
CID 110430077
2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]-propylamino]acetic acid
CID 61012494
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide
CID 55862367
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide
CID 24524251
3-[3-(4-chlorophenoxy)propyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 110429893
N-(2-ethoxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propanamide
CID 110430033

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N,N-dipropylacetamide?
The IUPAC name of 2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N,N-dipropylacetamide (CID 110429772) is 2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N,N-dipropylacetamide.
What is the SMILES notation for 2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N,N-dipropylacetamide?
The canonical SMILES for 2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N,N-dipropylacetamide is CCCN(CCC)C(=O)Cn1cnc2[nH]c(C)cc2c1=O.
What is the InChIKey of 2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N,N-dipropylacetamide?
The InChIKey is RGCOTSHFOQVKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-4-6-18(7-5-2)13(20)9-19-10-16-14-12(15(19)21)8-11(3)17-14/h8,10,17H,4-7,9H2,1-3H3.
What are the key properties of 2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N,N-dipropylacetamide?
2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N,N-dipropylacetamide has a molecular weight of 290.37 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N,N-dipropylacetamide is sourced from PubChem (CID 110429772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).